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Compile Data Set for Download or QSAR

Found 3346 hits with Last Name = 'bo' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384842
PNG
(N-[(1R)-1-(4-cyclopropyl-3- fluorophenyl)-2,2-dime...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(C2CC2)c(F)c1)C(C)(C)C
Show InChI InChI=1/C21H27FN4O2/c1-21(2,3)18(13-8-9-14(12-6-7-12)15(22)10-13)25-19(28)16-11-17(27)24-20(23-16)26(4)5/h8-12,18H,6-7H2,1-5H3,(H,25,28)(H,23,24,27)/t18-/s2
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0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384991
PNG
(2-(dimethylamino)-N-{(1S)-2- hydroxy-2-methyl-1-[4...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)S(F)(F)(F)(F)F)C(C)(C)O
Show InChI InChI=1/C17H21F5N4O3S/c1-17(2,29)14(10-5-7-11(8-6-10)30(18,19,20,21)22)25-15(28)12-9-13(27)24-16(23-12)26(3)4/h5-9,14,29H,1-4H3,(H,25,28)(H,23,24,27)/t14-/s2
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0.0730n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384842
PNG
(N-[(1R)-1-(4-cyclopropyl-3- fluorophenyl)-2,2-dime...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(C2CC2)c(F)c1)C(C)(C)C
Show InChI InChI=1/C21H27FN4O2/c1-21(2,3)18(13-8-9-14(12-6-7-12)15(22)10-13)25-19(28)16-11-17(27)24-20(23-16)26(4)5/h8-12,18H,6-7H2,1-5H3,(H,25,28)(H,23,24,27)/t18-/s2
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0.100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384950
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethyl)phenyl...)
Show SMILES CO[C@H]1CCN(C1)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1/C22H27F3N4O3/c1-21(2,3)18(13-5-7-14(8-6-13)22(23,24)25)28-19(31)16-11-17(30)27-20(26-16)29-10-9-15(12-29)32-4/h5-8,11,15,18H,9-10,12H2,1-4H3,(H,28,31)(H,26,27,30)/t15-,18-/s2
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0.110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384860
PNG
(N-{(1R)-1-[4-(1,1- difluoroethyl)phenyl]-2,2- dime...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C(C)(F)F)C(C)(C)C
Show InChI InChI=1/C20H26F2N4O2/c1-19(2,3)16(12-7-9-13(10-8-12)20(4,21)22)25-17(28)14-11-15(27)24-18(23-14)26(5)6/h7-11,16H,1-6H3,(H,25,28)(H,23,24,27)/t16-/s2
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0.110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384822
PNG
(2-(dimethylamino)-N-{(1R)-2,2- dimethyl-1-[4-(pent...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)S(F)(F)F)C(C)(C)C
Show InChI InChI=1/C18H23F3N4O2S/c1-18(2,3)15(11-6-8-12(9-7-11)28(19,20)21)24-16(27)13-10-14(26)23-17(22-13)25(4)5/h6-10,15H,1-5H3,(H,24,27)(H,22,23,26)/t15-/s2
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0.110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384819
PNG
(N-[(1R)-1-(4-cyclopropylphenyl)-2,2- dimethylpropy...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C1CC1)C(C)(C)C
Show InChI InChI=1/C21H28N4O2/c1-21(2,3)18(15-10-8-14(9-11-15)13-6-7-13)24-19(27)16-12-17(26)23-20(22-16)25(4)5/h8-13,18H,6-7H2,1-5H3,(H,24,27)(H,22,23,26)/t18-/s2
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0.110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384821
PNG
(2-(dimethylamino)-N-{(1R)-1-[2- fluoro-4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1F)C(F)(F)F)C(C)(C)C
Show InChI InChI=1/C19H22F4N4O2/c1-18(2,3)15(11-7-6-10(8-12(11)20)19(21,22)23)26-16(29)13-9-14(28)25-17(24-13)27(4)5/h6-9,15H,1-5H3,(H,26,29)(H,24,25,28)/t15-/s2
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0.110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384789
PNG
(US10285989, Example 2)
Show SMILES CC(NC(=O)c1cc(=O)[nH]c(n1)S(C)(=O)=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C15H14F3N3O4S/c1-8(9-3-5-10(6-4-9)15(16,17)18)19-13(23)11-7-12(22)21-14(20-11)26(2,24)25/h3-8H,1-2H3,(H,19,23)(H,20,21,22)
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0.110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384988
PNG
(2-(dimethylamino)-N-{(1S)-1-[3- fluoro-4- (trifluo...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)C(C)(C)O
Show InChI InChI=1/C18H20F4N4O4/c1-17(2,29)14(9-5-6-12(10(19)7-9)30-18(20,21)22)25-15(28)11-8-13(27)24-16(23-11)26(3)4/h5-8,14,29H,1-4H3,(H,25,28)(H,23,24,27)/t14-/s2
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0.120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384860
PNG
(N-{(1R)-1-[4-(1,1- difluoroethyl)phenyl]-2,2- dime...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C(C)(F)F)C(C)(C)C
Show InChI InChI=1/C20H26F2N4O2/c1-19(2,3)16(12-7-9-13(10-8-12)20(4,21)22)25-17(28)14-11-15(27)24-18(23-14)26(5)6/h7-11,16H,1-6H3,(H,25,28)(H,23,24,27)/t16-/s2
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0.120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384819
PNG
(N-[(1R)-1-(4-cyclopropylphenyl)-2,2- dimethylpropy...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C1CC1)C(C)(C)C
Show InChI InChI=1/C21H28N4O2/c1-21(2,3)18(15-10-8-14(9-11-15)13-6-7-13)24-19(27)16-12-17(26)23-20(22-16)25(4)5/h8-13,18H,6-7H2,1-5H3,(H,24,27)(H,22,23,26)/t18-/s2
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0.120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384887
PNG
(2-(dimethylamino)-N-[(1R)-2,2- dimethyl-1-{4- [(tr...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(SC(F)(F)F)cc1)C(C)(C)C
Show InChI InChI=1/C19H23F3N4O2S/c1-18(2,3)15(11-6-8-12(9-7-11)29-19(20,21)22)25-16(28)13-10-14(27)24-17(23-13)26(4)5/h6-10,15H,1-5H3,(H,25,28)(H,23,24,27)/t15-/s2
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0.120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384887
PNG
(2-(dimethylamino)-N-[(1R)-2,2- dimethyl-1-{4- [(tr...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(SC(F)(F)F)cc1)C(C)(C)C
Show InChI InChI=1/C19H23F3N4O2S/c1-18(2,3)15(11-6-8-12(9-7-11)29-19(20,21)22)25-16(28)13-10-14(27)24-17(23-13)26(4)5/h6-10,15H,1-5H3,(H,25,28)(H,23,24,27)/t15-/s2
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0.120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384885
PNG
(2-(dimethylamino)-N-{(1R)-1-[3-fluoro- 4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)C(C)(C)C
Show InChI InChI=1/C19H22F4N4O3/c1-18(2,3)15(10-6-7-13(11(20)8-10)30-19(21,22)23)26-16(29)12-9-14(28)25-17(24-12)27(4)5/h6-9,15H,1-5H3,(H,26,29)(H,24,25,28)/t15-/s2
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0.120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384821
PNG
(2-(dimethylamino)-N-{(1R)-1-[2- fluoro-4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1F)C(F)(F)F)C(C)(C)C
Show InChI InChI=1/C19H22F4N4O2/c1-18(2,3)15(11-7-6-10(8-12(11)20)19(21,22)23)26-16(29)13-9-14(28)25-17(24-13)27(4)5/h6-9,15H,1-5H3,(H,26,29)(H,24,25,28)/t15-/s2
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0.130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384949
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethyl)phenyl...)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CC[C@H](F)C1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C21H24F4N4O2/c1-20(2,3)17(12-4-6-13(7-5-12)21(23,24)25)28-18(31)15-10-16(30)27-19(26-15)29-9-8-14(22)11-29/h4-7,10,14,17H,8-9,11H2,1-3H3,(H,28,31)(H,26,27,30)/t14-,17-/s2
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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384822
PNG
(2-(dimethylamino)-N-{(1R)-2,2- dimethyl-1-[4-(pent...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)S(F)(F)F)C(C)(C)C
Show InChI InChI=1/C18H23F3N4O2S/c1-18(2,3)15(11-6-8-12(9-7-11)28(19,20)21)24-16(27)13-10-14(26)23-17(22-13)25(4)5/h6-10,15H,1-5H3,(H,24,27)(H,22,23,26)/t15-/s2
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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM85177
PNG
(CAS_80558-61-8 | M&B-28767 | NSC_119139)
Show SMILES OC(COc1ccccc1)C=CC1CCC(=O)C1CCCCCCC(O)=O
Show InChI InChI=1/C22H30O5/c23-18(16-27-19-8-4-3-5-9-19)14-12-17-13-15-21(24)20(17)10-6-1-2-7-11-22(25)26/h3-5,8-9,12,14,17-18,20,23H,1-2,6-7,10-11,13,15-16H2,(H,25,26)/b14-12+
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0.140n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by PDSP Ki Database




Biochim Biophys Acta 1483: 285-93 (2000)


Article DOI: 10.1016/s1388-1981(99)00164-x
BindingDB Entry DOI: 10.7270/Q2J964XQ
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384885
PNG
(2-(dimethylamino)-N-{(1R)-1-[3-fluoro- 4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)c(F)c1)C(C)(C)C
Show InChI InChI=1/C19H22F4N4O3/c1-18(2,3)15(10-6-7-13(11(20)8-10)30-19(21,22)23)26-16(29)12-9-14(28)25-17(24-12)27(4)5/h6-9,15H,1-5H3,(H,26,29)(H,24,25,28)/t15-/s2
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0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384908
PNG
((S)- or (R)-2-(dimethylamino)-N-{1-[2- fluoro-4-(p...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)NC(c1ccc(cc1F)S(F)(F)(F)(F)F)C(C)(C)C
Show InChI InChI=1/C18H22F6N4O2S/c1-18(2,3)15(11-7-6-10(8-12(11)19)31(20,21,22,23)24)27-16(30)13-9-14(29)26-17(25-13)28(4)5/h6-9,15H,1-5H3,(H,27,30)(H,25,26,29)
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0.150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384789
PNG
(US10285989, Example 2)
Show SMILES CC(NC(=O)c1cc(=O)[nH]c(n1)S(C)(=O)=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C15H14F3N3O4S/c1-8(9-3-5-10(6-4-9)15(16,17)18)19-13(23)11-7-12(22)21-14(20-11)26(2,24)25/h3-8H,1-2H3,(H,19,23)(H,20,21,22)
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0.150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384928
PNG
(N-[(1R)-2- methyl-1-{4- [(trifluoromethyl) sulfany...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(SC(F)(F)F)cc1
Show InChI InChI=1/C20H23F3N4O2S/c1-12(2)17(13-5-7-14(8-6-13)30-20(21,22)23)26-18(29)15-11-16(28)25-19(24-15)27-9-3-4-10-27/h5-8,11-12,17H,3-4,9-10H2,1-2H3,(H,26,29)(H,24,25,28)/t17-/s2
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0.150n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384949
PNG
(N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethyl)phenyl...)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CC[C@H](F)C1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C21H24F4N4O2/c1-20(2,3)17(12-4-6-13(7-5-12)21(23,24)25)28-18(31)15-10-16(30)27-19(26-15)29-9-8-14(22)11-29/h4-7,10,14,17H,8-9,11H2,1-3H3,(H,28,31)(H,26,27,30)/t14-,17-/s2
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0.170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384884
PNG
(2-(dimethylamino)-N-{(1R)-2,2- dimethyl-1-[4- (tri...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(C)(C)C
Show InChI InChI=1/C19H23F3N4O3/c1-18(2,3)15(11-6-8-12(9-7-11)29-19(20,21)22)25-16(28)13-10-14(27)24-17(23-13)26(4)5/h6-10,15H,1-5H3,(H,25,28)(H,23,24,27)/t15-/s2
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0.170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384857
PNG
(N-{(1R)-1-[4-(difluoromethyl)-2- fluorophenyl]-2,2...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1F)C(F)F)C(C)(C)C
Show InChI InChI=1/C19H23F3N4O2/c1-19(2,3)15(11-7-6-10(16(21)22)8-12(11)20)25-17(28)13-9-14(27)24-18(23-13)26(4)5/h6-9,15-16H,1-5H3,(H,25,28)(H,23,24,27)/t15-/s2
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0.170n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384886
PNG
(2-(dimethylamino)-N-{(1R)-1-[3-fluoro- 4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(c(F)c1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1/C19H22F4N4O2/c1-18(2,3)15(10-6-7-11(12(20)8-10)19(21,22)23)26-16(29)13-9-14(28)25-17(24-13)27(4)5/h6-9,15H,1-5H3,(H,26,29)(H,24,25,28)/t15-/s2
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0.180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384879
PNG
(N-{(1R)-2-methyl-1-[4- (trifluoromethyl)phenyl]pro...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C20H23F3N4O2/c1-12(2)17(13-5-7-14(8-6-13)20(21,22)23)26-18(29)15-11-16(28)25-19(24-15)27-9-3-4-10-27/h5-8,11-12,17H,3-4,9-10H2,1-2H3,(H,26,29)(H,24,25,28)/t17-/s2
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0.180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384928
PNG
(N-[(1R)-2- methyl-1-{4- [(trifluoromethyl) sulfany...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(SC(F)(F)F)cc1
Show InChI InChI=1/C20H23F3N4O2S/c1-12(2)17(13-5-7-14(8-6-13)30-20(21,22)23)26-18(29)15-11-16(28)25-19(24-15)27-9-3-4-10-27/h5-8,11-12,17H,3-4,9-10H2,1-2H3,(H,26,29)(H,24,25,28)/t17-/s2
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0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM50204596
PNG
(CHEMBL3977461 | US10285989, Example 30)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1
Show InChI InChI=1/C18H21F3N4O2S/c1-10(2)15(11-5-7-12(8-6-11)28-18(19,20)21)24-16(27)13-9-14(26)23-17(22-13)25(3)4/h5-10,15H,1-4H3,(H,24,27)(H,22,23,26)/t15-/s2
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0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384875
PNG
(2-(dimethylamino)-N-{(1R)-2- methyl-1-[4- (trifluo...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C18H21F3N4O3/c1-10(2)15(11-5-7-12(8-6-11)28-18(19,20)21)24-16(27)13-9-14(26)23-17(22-13)25(3)4/h5-10,15H,1-4H3,(H,24,27)(H,22,23,26)/t15-/s2
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0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384861
PNG
(N-{(1R)-1-[4-(1,1-difluoroethyl)-3- fluorophenyl]-...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(c(F)c1)C(C)(F)F
Show InChI InChI=1/C19H23F3N4O2/c1-10(2)16(11-6-7-12(13(20)8-11)19(3,21)22)25-17(28)14-9-15(27)24-18(23-14)26(4)5/h6-10,16H,1-5H3,(H,25,28)(H,23,24,27)/t16-/s2
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0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384929
PNG
(2-azetidin-1-yl-N- [(1R)-2-methyl-1- {4-[(trifluor...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCC1)c1ccc(SC(F)(F)F)cc1
Show InChI InChI=1/C19H21F3N4O2S/c1-11(2)16(12-4-6-13(7-5-12)29-19(20,21)22)25-17(28)14-10-15(27)24-18(23-14)26-8-3-9-26/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,25,28)(H,23,24,27)/t16-/s2
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384886
PNG
(2-(dimethylamino)-N-{(1R)-1-[3-fluoro- 4-(trifluor...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(c(F)c1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1/C19H22F4N4O2/c1-18(2,3)15(10-6-7-11(12(20)8-10)19(21,22)23)26-16(29)13-9-14(28)25-17(24-13)27(4)5/h6-9,15H,1-5H3,(H,26,29)(H,24,25,28)/t15-/s2
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384880
PNG
(2-(dimethylamino)-N-[(1R)-1-{3- fluoro-4- [(triflu...)
Show SMILES C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)c(F)c1
Show InChI InChI=1/C16H16F4N4O2S/c1-8(9-4-5-12(10(17)6-9)27-16(18,19)20)21-14(26)11-7-13(25)23-15(22-11)24(2)3/h4-8H,1-3H3,(H,21,26)(H,22,23,25)/t8-/s2
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384855
PNG
(N-[(R)-(4-cyclopropylphenyl)(1- methylcyclopropyl)...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C1CC1)C1(C)CC1
Show InChI InChI=1/C21H26N4O2/c1-21(10-11-21)18(15-8-6-14(7-9-15)13-4-5-13)24-19(27)16-12-17(26)23-20(22-16)25(2)3/h6-9,12-13,18H,4-5,10-11H2,1-3H3,(H,24,27)(H,22,23,26)/t18-/s2
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0.210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384811
PNG
(N-[(R)-cyclopropyl{4- [(trifluoromethyl)sulfanyl]p...)
Show SMILES FC(F)(F)Sc1ccc(cc1)[C@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)C1CC1
Show InChI InChI=1/C20H21F3N4O2S/c21-20(22,23)30-14-7-5-13(6-8-14)17(12-3-4-12)26-18(29)15-11-16(28)25-19(24-15)27-9-1-2-10-27/h5-8,11-12,17H,1-4,9-10H2,(H,26,29)(H,24,25,28)/t17-/s2
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0.210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384884
PNG
(2-(dimethylamino)-N-{(1R)-2,2- dimethyl-1-[4- (tri...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(OC(F)(F)F)cc1)C(C)(C)C
Show InChI InChI=1/C19H23F3N4O3/c1-18(2,3)15(11-6-8-12(9-7-11)29-19(20,21)22)25-16(28)13-10-14(27)24-17(23-13)26(4)5/h6-10,15H,1-5H3,(H,25,28)(H,23,24,27)/t15-/s2
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0.210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384861
PNG
(N-{(1R)-1-[4-(1,1-difluoroethyl)-3- fluorophenyl]-...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(c(F)c1)C(C)(F)F
Show InChI InChI=1/C19H23F3N4O2/c1-10(2)16(11-6-7-12(13(20)8-11)19(3,21)22)25-17(28)14-9-15(27)24-18(23-14)26(4)5/h6-10,16H,1-5H3,(H,25,28)(H,23,24,27)/t16-/s2
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0.210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384908
PNG
((S)- or (R)-2-(dimethylamino)-N-{1-[2- fluoro-4-(p...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)NC(c1ccc(cc1F)S(F)(F)(F)(F)F)C(C)(C)C
Show InChI InChI=1/C18H22F6N4O2S/c1-18(2,3)15(11-7-6-10(8-12(11)19)31(20,21,22,23)24)27-16(30)13-9-14(29)26-17(25-13)28(4)5/h6-9,15H,1-5H3,(H,27,30)(H,25,26,29)
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0.220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM50204596
PNG
(CHEMBL3977461 | US10285989, Example 30)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)cc1
Show InChI InChI=1/C18H21F3N4O2S/c1-10(2)15(11-5-7-12(8-6-11)28-18(19,20)21)24-16(27)13-9-14(26)23-17(22-13)25(3)4/h5-10,15H,1-4H3,(H,24,27)(H,22,23,26)/t15-/s2
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0.220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384813
PNG
(N-[(1R)-1-{3-fluoro-4- [(trifluoromethyl)sulfanyl]...)
Show SMILES CC[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(SC(F)(F)F)c(F)c1
Show InChI InChI=1/C19H20F4N4O2S/c1-2-13(11-5-6-15(12(20)9-11)30-19(21,22)23)24-17(29)14-10-16(28)26-18(25-14)27-7-3-4-8-27/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,24,29)(H,25,26,28)/t13-/s2
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0.220n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384855
PNG
(N-[(R)-(4-cyclopropylphenyl)(1- methylcyclopropyl)...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C1CC1)C1(C)CC1
Show InChI InChI=1/C21H26N4O2/c1-21(10-11-21)18(15-8-6-14(7-9-15)13-4-5-13)24-19(27)16-12-17(26)23-20(22-16)25(2)3/h6-9,12-13,18H,4-5,10-11H2,1-3H3,(H,24,27)(H,22,23,26)/t18-/s2
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US Patent
0.230n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384827
PNG
(2-(dimethylamino)-N-{(R)-(1- methylcyclopropyl)[4-...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1)C(F)(F)F)C1(C)CC1
Show InChI InChI=1/C19H21F3N4O2/c1-18(8-9-18)15(11-4-6-12(7-5-11)19(20,21)22)25-16(28)13-10-14(27)24-17(23-13)26(2)3/h4-7,10,15H,8-9H2,1-3H3,(H,25,28)(H,23,24,27)/t15-/s2
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US Patent
0.230n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384882
PNG
(2-(dimethylamino)-N-[(1R)-1-{3- fluoro-4- [(triflu...)
Show SMILES CC[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)c(F)c1
Show InChI InChI=1/C17H18F4N4O2S/c1-4-11(9-5-6-13(10(18)7-9)28-17(19,20)21)22-15(27)12-8-14(26)24-16(23-12)25(2)3/h5-8,11H,4H2,1-3H3,(H,22,27)(H,23,24,26)/t11-/s2
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0.230n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384931
PNG
(2-(dimethylamino)- N-[(1R)-1-{3- fluoro-4- [(trifl...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(SC(F)(F)F)c(F)c1
Show InChI InChI=1/C18H20F4N4O2S/c1-9(2)15(10-5-6-13(11(19)7-10)29-18(20,21)22)25-16(28)12-8-14(27)24-17(23-12)26(3)4/h5-9,15H,1-4H3,(H,25,28)(H,23,24,27)/t15-/s2
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0.240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384857
PNG
(N-{(1R)-1-[4-(difluoromethyl)-2- fluorophenyl]-2,2...)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)N[C@@H](c1ccc(cc1F)C(F)F)C(C)(C)C
Show InChI InChI=1/C19H23F3N4O2/c1-19(2,3)15(11-7-6-10(16(21)22)8-12(11)20)25-17(28)13-9-14(27)24-18(23-13)26(4)5/h6-9,15-16H,1-5H3,(H,25,28)(H,23,24,27)/t15-/s2
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0.260n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384928
PNG
(N-[(1R)-2- methyl-1-{4- [(trifluoromethyl) sulfany...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N1CCCC1)c1ccc(SC(F)(F)F)cc1
Show InChI InChI=1/C20H23F3N4O2S/c1-12(2)17(13-5-7-14(8-6-13)30-20(21,22)23)26-18(29)15-11-16(28)25-19(24-15)27-9-3-4-10-27/h5-8,11-12,17H,3-4,9-10H2,1-2H3,(H,26,29)(H,24,25,28)/t17-/s2
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0.260n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM384896
PNG
(2-(dimethylamino)-N-{(1R)-1-[3- fluoro-4-(trifluor...)
Show SMILES CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1/C18H20F4N4O2/c1-9(2)15(10-5-6-11(12(19)7-10)18(20,21)22)25-16(28)13-8-14(27)24-17(23-13)26(3)4/h5-9,15H,1-4H3,(H,25,28)(H,23,24,27)/t15-/s2
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0.270n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM384874
PNG
(2-(dimethylamino)-N-{(1R)-1-[3- fluoro-4- (trifluo...)
Show SMILES C[C@@H](NC(=O)c1cc(=O)[nH]c(n1)N(C)C)c1ccc(OC(F)(F)F)c(F)c1
Show InChI InChI=1/C16H16F4N4O3/c1-8(9-4-5-12(10(17)6-9)27-16(18,19)20)21-14(26)11-7-13(25)23-15(22-11)24(2)3/h4-8H,1-3H3,(H,21,26)(H,22,23,25)/t8-/s2
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0.280n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


US Patent US10285989 (2019)

More data for this
Ligand-Target Pair
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